tripropyl-[4-(tripropylazaniumyl)butyl]azanium

C22H50N2+2 — CID 86186380

IUPACtripropyl-[4-(tripropylazaniumyl)butyl]azanium
SMILESCCC[N+](CCC)(CCC)CCCC[N+](CCC)(CCC)CCC
InChIInChI=1S/C22H50N2/c1-7-15-23(16-8-2,17-9-3)21-13-14-22-24(18-10-4,19-11-5)20-12-6/h7-22H2,1-6H3/q+2
InChIKeyFWXNFCRWUFUMET-UHFFFAOYSA-N
MW342.66 g/mol
LogP5.86
Rot. Bonds17

About tripropyl-[4-(tripropylazaniumyl)butyl]azanium

tripropyl-[4-(tripropylazaniumyl)butyl]azanium (PubChem CID 86186380) has the molecular formula C22H50N2+2 and a molecular weight of 342.66 g/mol. Its IUPAC name is tripropyl-[4-(tripropylazaniumyl)butyl]azanium.

Molecular Properties

Compound Nametripropyl-[4-(tripropylazaniumyl)butyl]azanium
PubChem CID86186380
Molecular FormulaC22H50N2+2
Molecular Weight342.66 g/mol
Exact Mass342.40
IUPAC Nametripropyl-[4-(tripropylazaniumyl)butyl]azanium
SMILESCCC[N+](CCC)(CCC)CCCC[N+](CCC)(CCC)CCC
InChIInChI=1S/C22H50N2/c1-7-15-23(16-8-2,17-9-3)21-13-14-22-24(18-10-4,19-11-5)20-12-6/h7-22H2,1-6H3/q+2
InChIKeyFWXNFCRWUFUMET-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.66
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

propyl-tri(tetradecyl)azanium
CID 22408967
dihexyl(dipropyl)azanium
CID 23088856
hexadecyl-[4-[hexadecyl(dipropyl)azaniumyl]butyl]-dipropylazanium
CID 122218461
propyl-tri(undecyl)azanium
CID 54352857
butyl-dipentyl-propylazanium chloride
CID 88839521
didecyl(dipropyl)azanium chloride
CID 16747386
tripropyl(tetracosyl)azanium bromide
CID 153322910
dibutyl-hexadecyl-propylazanium
CID 87194483
dodecyl(tripropyl)azanium hydroxide
CID 19814016
trihexyl(nonyl)azanium
CID 87777679
pentyl-tri(tridecyl)azanium
CID 87897500
octyl-tri(pentadecyl)azanium
CID 87809127

Frequently Asked Questions

What is the IUPAC name of tripropyl-[4-(tripropylazaniumyl)butyl]azanium?
The IUPAC name of tripropyl-[4-(tripropylazaniumyl)butyl]azanium (CID 86186380) is tripropyl-[4-(tripropylazaniumyl)butyl]azanium.
What is the SMILES notation for tripropyl-[4-(tripropylazaniumyl)butyl]azanium?
The canonical SMILES for tripropyl-[4-(tripropylazaniumyl)butyl]azanium is CCC[N+](CCC)(CCC)CCCC[N+](CCC)(CCC)CCC.
What is the InChIKey of tripropyl-[4-(tripropylazaniumyl)butyl]azanium?
The InChIKey is FWXNFCRWUFUMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H50N2/c1-7-15-23(16-8-2,17-9-3)21-13-14-22-24(18-10-4,19-11-5)20-12-6/h7-22H2,1-6H3/q+2.
What are the key properties of tripropyl-[4-(tripropylazaniumyl)butyl]azanium?
tripropyl-[4-(tripropylazaniumyl)butyl]azanium has a molecular weight of 342.66 g/mol, XLogP of 5.86, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tripropyl-[4-(tripropylazaniumyl)butyl]azanium is sourced from PubChem (CID 86186380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).